3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide

C14H13Cl2NOS — CID 18711929

IUPAC3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NOS/c1-9(7-11-3-2-6-19-11)17-14(18)10-4-5-12(15)13(16)8-10/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyMOWXLROQHVHQCD-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.42
Rot. Bonds4

About 3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide

3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 18711929) has the molecular formula C14H13Cl2NOS and a molecular weight of 314.24 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID18711929
Molecular FormulaC14H13Cl2NOS
Molecular Weight314.24 g/mol
Exact Mass313.01
IUPAC Name3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NOS/c1-9(7-11-3-2-6-19-11)17-14(18)10-4-5-12(15)13(16)8-10/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyMOWXLROQHVHQCD-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103956007
4-fluoro-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63212844
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 60722842
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 95573285
2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349627
2-amino-3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 115540690
3-chloro-4-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
CID 63293665

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide (CID 18711929) is 3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide is CC(Cc1cccs1)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is MOWXLROQHVHQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NOS/c1-9(7-11-3-2-6-19-11)17-14(18)10-4-5-12(15)13(16)8-10/h2-6,8-9H,7H2,1H3,(H,17,18).
What are the key properties of 3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 314.24 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 18711929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).